| SpectraBase Spectrum ID |
IpxAbUEWriq |
| Name |
Phthalic acid, isobutyl 2-propylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-5-9-16(10-6-2)14-24-20(22)18-12-8-7-11-17(18)19(21)23-13-15(3)4/h7-8,11-12,15-16H,5-6,9-10,13-14H2,1-4H3 |
| InChIKey |
BVBMHFXWLLRVEG-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCC(CCC)CCC)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948132 |
